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Information card for entry 1519298
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Coordinates | 1519298.cif |
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Formula | C20 H30 Cl2 Fe N6 O8 |
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Calculated formula | C20 H30 Cl2 Fe N6 O8 |
SMILES | [Fe]12345[N]6(c7ccccc7[NH2]2)CC[NH]5CC[N]4(c2ccccc2[NH2]3)CC[NH]1CC6.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | C20H30Cl2FeN6O8 |
Authors of publication | Fallis, Ian A.; Light, Mark E.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2001 |
Pages of publication | 726 |
a | 19.0961 ± 0.0008 Å |
b | 8.5356 ± 0.0005 Å |
c | 16.7145 ± 0.0007 Å |
α | 90° |
β | 115.869 ± 0.004° |
γ | 90° |
Cell volume | 2451.4 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0601 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1104 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1519298.html
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